Noscapine hydrochlorideProduct ingredient for Noscapine

Name
Noscapine hydrochloride
Drug Entry
Noscapine
Accession Number
DBSALT001995
Structure
Thumb
Synonyms
Not Available
UNII
TTN62ITH9I
CAS Number
912-60-7
Weight
Average: 449.88
Monoisotopic: 449.1241298
Chemical Formula
C22H24ClNO7
InChI Key
MFLVZFXCSKVCSH-URBRKQAFSA-N
InChI
InChI=1S/C22H23NO7.ClH/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H/t17-,18+;/m1./s1
IUPAC Name
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one hydrochloride
SMILES
Cl.COC1=CC=C2[C@H](OC(=O)C2=C1OC)[C@@H]1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
External Links
ChemSpider
390784
ChEMBL
CHEMBL2106732
Predicted Properties
PropertyValueSource
Water Solubility0.181 mg/mLALOGPS
logP2ALOGPS
logP2.58ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)12.86ChemAxon
pKa (Strongest Basic)7.14ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area75.69 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity107.08 m3·mol-1ChemAxon
Polarizability41.17 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon